Geometry & MOs

Info

ID:	315525
PubChem CID:	126627327
Reduced:	FON6C13H15 (1)
Stoich.:	ABC6D13E15 (1)
Weight, g/mol:	141.115364
ΔH_f, kcal/mol:	-27.53
Dipole, Da:	3.25
IP(EA), eV:	-8.92(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(methylamino)hepta-1,6-dien-2-ol

Drug info:

PubChemData

Smile

CC(C)C1=C(C=CC(=N1)NC2=CC(=NN=C2C(=O)N)N)F

DOS

IR

Vibrations